The Jahn—Teller Effect in Dipole (Multipole) Moments and Polarizabilities of Molecules
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BERSUKER, Isaac, OGURTSOV, Ivan. The Jahn—Teller Effect in Dipole (Multipole) Moments and Polarizabilities of Molecules. Amsterdam: 1991, pp. 1-84. ISSN 00653276DOI: 10.1016/S0065-3276(08)60047-7
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Advances in Quantum Chemistry 1986
18 C / 1991

The Jahn—Teller Effect in Dipole (Multipole) Moments and Polarizabilities of Molecules

DOI:https://doi.org/10.1016/S0065-3276(08)60047-7

Pag. 1-84

Bersuker Isaac, Ogurtsov Ivan
 
Institute of Chemistry of the Academy of Sciences of Moldova
 
 
Disponibil în IBN: 21 februarie 2024


Rezumat

This chapter discusses the results obtained in the applications on the concept of vibronic interactions and the investigations of electric properties of molecules, like dipole and multipole moments and polarizabilities. In the study of the electric properties of molecules, it is assumed that the electron and nuclear dynamics cannot destroy the molecular symmetry, and hence, the individual characteristics of molecules are conceptually determined by the symmetry of the nuclear framework only. This statement is based on the assumption that the charge distribution (either classical or quantic) is totally symmetric (with respect to the nuclear configuration)— that is, it transforms itself under the operations of the point symmetry group of the molecule. In the cases in which the electronic state of the molecule is nondegenerate, the preceding considerations are correct, and they remain the same in both the classical and quantum descriptions. In each of the states of the degenerate term or in their linear combinations, the charge distribution is not invariant with respect to all the operations of the assumed symmetry of the molecule. Therefore, all the conclusions based on the assumption of a totally symmetric charge distribution in the case of degeneracy become invalid. Additionally, in the case of electronic degeneracy the nuclear configuration, following the Jahn-Teller theorem, is not appropriate to the minimum of the adiabatic potential, and hence, the system is unstable with respect to nuclear displacements lowering the symmetry of the molecule. 

DOI: 10.1016/S0065-3276(08)60047-7
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